SCHEMBL10164564

SCHEMBL10164564

Cc1ccc(-c2cc(CNC(=O)[C@@H]3C=CCN3S(=O)(=O)c3ccc(Cl)s3)cc(N3CCN(c4ccccc4F)CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
MAPT P10636 5/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TRPA1 O75762 1/20 0.35
POLB P06746 2/20 0.34
CCR4 P51679 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL893746 0.92 TRPA1 (0.39) L3MBTL1TRPA1
SCHEMBL10164586 0.89 LMNA (0.41) MAPTLMNAMEN1KMT2ATRPA1
SCHEMBL10164507 0.88 L3MBTL1 (0.47) THRBMAPTLMNAMEN1KMT2A
SCHEMBL10164512 0.88 LMNA (0.44) THRBMAPTLMNAMEN1KMT2A
SCHEMBL10164625 0.87 ALDH1A1 (0.36) MAPTLMNAMEN1KMT2ATP53
SCHEMBL10164521 0.86 ALDH1A1 (0.38) MAPTLMNATRPA1POLBNPSR1
SCHEMBL10164563 0.86 THRB (0.38) THRBMAPTLMNAMEN1KMT2A
SCHEMBL10164609 0.82 TRPA1 (0.38) MAPTLMNAMEN1KMT2ATP53
SCHEMBL10164705 0.82 MAPT (0.37) MAPTLMNAMEN1KMT2ATP53
SCHEMBL893849 0.82 LMNA (0.40) LMNATRPA1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 THRB 2126/4885MAPT 1004/4885LMNA 4619/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.